N-{4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(4-nitro-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-{4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(4-nitro-1H-pyrazol-1-yl)acetamide
N-{4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(4-nitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | D041-0230 |
| Compound Name: | N-{4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(4-nitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 450.41 |
| Molecular Formula: | C21 H18 N6 O6 |
| Smiles: | COc1ccc(cc1OC)c1nc(c2ccc(cc2)NC(Cn2cc(cn2)[N+]([O-])=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.108 |
| logD: | 3.108 |
| logSw: | -3.4023 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.941 |
| InChI Key: | NNDFWEUNDACQPB-UHFFFAOYSA-N |